Geometry & MOs

Info

ID:	342230
PubChem CID:	127265007
Reduced:	ClSN2O3H19C21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	380.137222
ΔH_f, kcal/mol:	-31.86
Dipole, Da:	3.19
IP(EA), eV:	-8.6(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[(2Z)-2-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-1-ethyl-2-oxo-4H-quinoxaline-6-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)CC=C)C=C2C(=O)N(C(=S)N2)CC3=CC=CC=C3Cl

DOS

IR

Vibrations